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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=62",
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"results": [
{
"id": "mp-1344128",
"created_at": "2022-09-04T14:39:33.832541Z",
"structure_string": "Li6 Mn2 O1 F11\n1.0\n5.085687 0.000000 0.000000\n-2.515588 4.923272 0.000000\n0.000602 -2.965028 8.249148\nLi Mn O F\n6 2 1 11\ndirect\n0.205331 0.344277 0.064728 Li\n0.052396 0.404103 0.693746 Li\n0.971146 0.604879 0.328245 Li\n0.265540 0.144419 0.402925 Li\n0.755771 0.610782 0.938864 Li\n0.460134 0.127852 0.830021 Li\n0.735691 0.900615 0.567762 Mn\n0.517937 0.858517 0.180018 Mn\n0.787462 0.870308 0.378848 O\n0.284925 0.021374 0.223295 F\n0.778661 0.571167 0.692113 F\n0.687873 0.634826 0.136656 F\n0.712424 0.250720 0.473303 F\n0.242357 0.788992 0.982900 F\n0.318723 0.725682 0.534449 F\n0.777292 0.215044 0.028550 F\n0.330296 0.377773 0.873579 F\n0.151924 0.101633 0.614014 F\n0.214483 0.470467 0.281265 F\n0.722702 0.970995 0.765460 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.0269556099538746,
"density_atomic": 0.09683167448535994,
"volume": 206.54398580109049,
"volume_molar": 6.219184778128042,
"formula_full": "Li6 Mn2 O1 F11",
"formula_reduced": "Li6Mn2OF11",
"formula_anonymous": "AB2C6D11",
"energy": -101.40729417,
"energy_per_atom": -5.0703647085,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.30229417,
"band_gap": 0.4061,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0093063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.691000Z",
"spacegroup": 1
},
{
"id": "mp-1220940",
"created_at": "2022-09-04T14:39:34.039608Z",
"structure_string": "Rb12 Nb12 H28 O54\n1.0\n9.779968 -0.008275 0.239794\n4.405683 9.174914 3.023320\n0.094635 0.061188 17.223358\nRb Nb H O\n12 12 28 54\ndirect\n0.569093 0.781197 0.638364 Rb\n0.431408 0.217716 0.365048 Rb\n0.283429 0.718167 0.035308 Rb\n0.719542 0.280690 0.966437 Rb\n0.109756 0.361907 0.852183 Rb\n0.892304 0.637145 0.149014 Rb\n0.872663 0.403493 0.561547 Rb\n0.127731 0.596436 0.435584 Rb\n0.461247 0.377148 0.706957 Rb\n0.534966 0.620101 0.292849 Rb\n0.402146 0.956092 0.824479 Rb\n0.598551 0.042097 0.175504 Rb\n0.212536 0.697837 0.814660 Nb\n0.788296 0.303046 0.184778 Nb\n0.745348 0.065646 0.648002 Nb\n0.254827 0.935100 0.352557 Nb\n0.012215 0.703449 0.654358 Nb\n0.987672 0.296696 0.345592 Nb\n0.960124 0.045214 0.803801 Nb\n0.039705 0.953757 0.196099 Nb\n0.832427 0.785793 0.817854 Nb\n0.168247 0.212583 0.181418 Nb\n0.137207 0.965862 0.638820 Nb\n0.861615 0.035447 0.360736 Nb\n0.640501 0.716642 0.976729 H\n0.358513 0.283146 0.022935 H\n0.510482 0.823016 0.092104 H\n0.489874 0.177126 0.907836 H\n0.899173 0.127681 0.515383 H\n0.100496 0.871833 0.484310 H\n0.728463 0.793112 0.465581 H\n0.272219 0.205291 0.535369 H\n0.156207 0.471932 0.054761 H\n0.843005 0.525051 0.945271 H\n0.599286 0.742891 0.458051 H\n0.400405 0.257021 0.542407 H\n0.113790 0.073454 0.946082 H\n0.885824 0.926847 0.053436 H\n0.613120 0.607569 0.056356 H\n0.388710 0.391773 0.943950 H\n0.070288 0.603787 0.973616 H\n0.931428 0.396566 0.027444 H\n0.372225 0.918353 0.135164 H\n0.627652 0.081631 0.864654 H\n0.791806 0.922124 0.532034 H\n0.208459 0.077801 0.468285 H\n0.189451 0.344395 0.656595 H\n0.809974 0.655099 0.342825 H\n0.192064 0.059989 0.029243 H\n0.807532 0.939658 0.970587 H\n0.161828 0.207434 0.705790 H\n0.838617 0.791522 0.294338 H\n0.577286 0.205447 0.580397 O\n0.422773 0.795217 0.419340 O\n0.912237 0.110110 0.575943 O\n0.087446 0.890705 0.423566 O\n0.243922 0.041533 0.566290 O\n0.756306 0.958703 0.433279 O\n0.189366 0.595095 0.736751 O\n0.811116 0.405188 0.263134 O\n0.717832 0.716084 0.888090 O\n0.281011 0.280759 0.110552 O\n0.217043 0.267378 0.709242 O\n0.781110 0.733898 0.290806 O\n0.702590 0.709120 0.485604 O\n0.296644 0.290274 0.515693 O\n0.116001 0.824710 0.586629 O\n0.883808 0.175630 0.412895 O\n0.081558 0.095702 0.710071 O\n0.918367 0.905552 0.289575 O\n0.045083 0.657950 0.870063 O\n0.957009 0.342032 0.129861 O\n0.293410 0.807606 0.722390 O\n0.704669 0.193604 0.277030 O\n0.096162 0.578729 0.033321 O\n0.909200 0.419757 0.967517 O\n0.029822 0.578345 0.598316 O\n0.967843 0.420853 0.402276 O\n0.876780 0.670811 0.738667 O\n0.124263 0.329344 0.261527 O\n0.976079 0.886486 0.722369 O\n0.024747 0.113657 0.277797 O\n0.150477 0.867839 0.857235 O\n0.851335 0.130950 0.142883 O\n0.213554 0.038368 0.976771 O\n0.786078 0.960424 0.023318 O\n0.955084 0.161856 0.863445 O\n0.046547 0.835641 0.136689 O\n0.383055 0.641758 0.560185 O\n0.618169 0.355414 0.442330 O\n0.592514 0.711467 0.029090 O\n0.406814 0.288493 0.970660 O\n0.481064 0.850603 0.142534 O\n0.518721 0.149116 0.857486 O\n0.805984 0.892761 0.593256 O\n0.194237 0.107257 0.407029 O\n0.666827 0.951270 0.730332 O\n0.333487 0.048637 0.269816 O\n0.834773 0.943430 0.861589 O\n0.165529 0.054731 0.138390 O\n0.380862 0.559036 0.883666 O\n0.625155 0.441014 0.114997 O\n0.775791 0.170222 0.716348 O\n0.224322 0.831090 0.283126 O\n0.618487 0.556232 0.825824 O\n0.242302 0.545748 0.277523 O\n",
"nsites": 106,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"H",
"O"
],
"chemical_system": "H-Nb-O-Rb",
"density": 3.2613060728402017,
"density_atomic": 0.06864702620794118,
"volume": 1544.1309821478878,
"volume_molar": 8.772617100350592,
"formula_full": "Rb12 Nb12 H28 O54",
"formula_reduced": "Rb6Nb6H14O27",
"formula_anonymous": "A6B6C14D27",
"energy": -711.11763264,
"energy_per_atom": -6.708656911698113,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -674.01963264,
"band_gap": 0.2402999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000881,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.586000Z",
"spacegroup": 1
},
{
"id": "mp-1204167",
"created_at": "2022-09-04T14:39:34.053588Z",
"structure_string": "Ce2 H28 Cl6 O14\n1.0\n-0.057103 -0.071628 -8.016021\n8.155198 0.189558 -1.153309\n-2.724217 -8.737704 2.696557\nCe H Cl O\n2 28 6 14\ndirect\n0.782897 0.309345 0.816950 Ce\n0.212472 0.682268 0.166286 Ce\n0.480652 0.195517 0.516904 H\n0.644261 0.137395 0.446707 H\n0.345429 0.850476 0.540330 H\n0.464157 0.925696 0.471320 H\n0.528699 0.640616 0.743961 H\n0.448582 0.468883 0.623426 H\n0.492336 0.374924 0.251165 H\n0.554480 0.561158 0.362894 H\n0.883715 0.512158 0.616193 H\n0.010134 0.343306 0.591287 H\n0.996546 0.632799 0.393925 H\n0.131203 0.470300 0.364587 H\n0.075888 0.025272 0.711761 H\n0.898304 0.951090 0.602107 H\n0.903292 0.961062 0.260829 H\n0.077799 0.009602 0.388375 H\n0.389282 0.375140 0.847365 H\n0.431789 0.176695 0.837686 H\n0.609606 0.662684 0.144320 H\n0.542074 0.854175 0.147722 H\n0.742947 0.311071 0.142391 H\n0.886527 0.446291 0.178475 H\n0.122146 0.539968 0.803928 H\n0.260310 0.682591 0.842483 H\n0.784257 0.914727 0.809156 H\n0.729234 0.022977 0.962953 H\n0.201481 0.080321 0.204360 H\n0.225720 0.002812 0.034818 H\n0.855585 0.674096 0.979234 Cl\n0.144241 0.312701 0.996976 Cl\n0.330120 0.884735 0.772793 Cl\n0.657983 0.114063 0.207674 Cl\n0.219495 0.274716 0.458706 Cl\n0.794235 0.702294 0.518596 Cl\n0.602208 0.145600 0.537882 O\n0.362606 0.855517 0.442418 O\n0.555872 0.515910 0.699236 O\n0.452933 0.497261 0.288502 O\n0.942111 0.420556 0.663135 O\n0.068253 0.562561 0.321350 O\n0.956887 0.062017 0.664134 O\n0.013617 0.911022 0.310124 O\n0.478622 0.279668 0.834402 O\n0.508209 0.743827 0.149186 O\n0.776657 0.397196 0.104400 O\n0.231306 0.591381 0.877862 O\n0.765212 0.033038 0.875330 O\n0.209029 0.971224 0.120325 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Ce",
"H",
"Cl",
"O"
],
"chemical_system": "Ce-Cl-H-O",
"density": 2.174798534621168,
"density_atomic": 0.08787960979549592,
"volume": 568.9601958446866,
"volume_molar": 6.85271677242774,
"formula_full": "Ce2 H28 Cl6 O14",
"formula_reduced": "CeH14Cl3O7",
"formula_anonymous": "AB3C7D14",
"energy": -262.02811823,
"energy_per_atom": -5.240562364600001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -248.72611823000005,
"band_gap": 0.3279000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.421000Z",
"spacegroup": 1
},
{
"id": "mp-1074673",
"created_at": "2022-09-04T14:39:34.143348Z",
"structure_string": "Mg16 Si12\n1.0\n6.057533 0.000000 0.000000\n-1.873563 6.835952 0.000000\n-1.644593 -2.266339 13.006432\nMg Si\n16 12\ndirect\n0.762980 0.912847 0.921336 Mg\n0.609356 0.354726 0.916318 Mg\n0.207821 0.017792 0.426135 Mg\n0.960040 0.410596 0.133174 Mg\n0.219070 0.920544 0.831751 Mg\n0.077737 0.299897 0.897348 Mg\n0.640522 0.854807 0.395644 Mg\n0.624733 0.487883 0.490978 Mg\n0.292734 0.713581 0.571267 Mg\n0.362895 0.287323 0.672363 Mg\n0.820846 0.875289 0.168393 Mg\n0.725652 0.223619 0.308134 Mg\n0.929356 0.460774 0.707073 Mg\n0.938186 0.942383 0.610410 Mg\n0.494703 0.473330 0.176189 Mg\n0.303047 0.846080 0.204922 Mg\n0.623402 0.131295 0.552543 Si\n0.248252 0.553504 0.342985 Si\n0.165707 0.116900 0.072919 Si\n0.004567 0.672500 0.997966 Si\n0.368351 0.593461 0.819185 Si\n0.674894 0.086855 0.746136 Si\n0.890081 0.632335 0.324308 Si\n0.205142 0.208129 0.265961 Si\n0.661740 0.703936 0.715600 Si\n0.008402 0.297640 0.516843 Si\n0.410023 0.688292 0.011042 Si\n0.550710 0.090518 0.067208 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2380846855917027,
"density_atomic": 0.051988233792606295,
"volume": 538.5834054624515,
"volume_molar": 11.583660995339415,
"formula_full": "Mg16 Si12",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy": -88.04737849,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.856000Z",
"spacegroup": 1
},
{
"id": "mp-1372295",
"created_at": "2022-09-04T14:39:34.240219Z",
"structure_string": "Li3 V4 O7 F5\n1.0\n-5.130969 0.000000 0.000000\n2.425408 4.772917 0.000000\n-0.189828 -2.761597 -8.449539\nLi V O F\n3 4 7 5\ndirect\n0.464305 0.761402 0.154073 Li\n0.934944 0.216822 0.655637 Li\n0.705890 0.494329 0.898451 Li\n0.492491 0.512025 0.503585 V\n0.069975 0.045464 0.000893 V\n0.795132 0.325638 0.263737 V\n0.238255 0.733895 0.760311 V\n0.066113 0.923299 0.817776 O\n0.572452 0.444982 0.313024 O\n0.437316 0.183141 0.066816 O\n0.995560 0.363275 0.869162 O\n0.991909 0.623510 0.125227 O\n0.051147 0.325669 0.429700 O\n0.415306 0.578633 0.682387 O\n0.519347 0.890855 0.359368 F\n0.933533 0.681494 0.570977 F\n0.559369 0.793416 0.944206 F\n0.903152 0.063603 0.174371 F\n0.511179 0.134173 0.629425 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.46330640730194,
"density_atomic": 0.09182000523698315,
"volume": 206.92658371083607,
"volume_molar": 6.558636916276726,
"formula_full": "Li3 V4 O7 F5",
"formula_reduced": "Li3V4O7F5",
"formula_anonymous": "A3B4C5D7",
"energy": -112.75173093,
"energy_per_atom": -5.934301627894737,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -98.83273093,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.07633,
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"updated_at": "2021-11-28T01:34:35.141000Z",
"spacegroup": 1
},
{
"id": "mp-988320",
"created_at": "2022-09-04T14:39:34.263688Z",
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